SCHEMBL3706290

SCHEMBL3706290

[N-]=[N+]=NOC[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@@H]1OP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLG P54098 3/20 0.54
POLB P06746 2/20 0.52
P2RY2 P41231 7/20 0.48
P2RY4 P51582 3/20 0.48
P2RY6 Q15077 2/20 0.48
POLA1 P09884 1/20 0.38
POLD1 P28340 1/20 0.38
CACNA1F O60840 2/20 0.38
LMNA P02545 2/20 0.38
ALB P02768 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
PDE3A Q14432 2/20 0.38
P2RY12 Q9H244 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6141732 0.88 POLG (0.59) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL9543610 0.87 POLG (0.58) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL6038227 0.86 POLG (0.57) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL10902119 0.84 POLG (0.56) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL597306 0.84 POLG (0.56) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL25631339 0.84 POLG (0.67) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL5708921 0.83 POLG (0.54) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL24058344 0.82 POLG (0.60) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL17685640 0.82 POLG (0.60) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL21579544 0.82 POLG (0.60) POLGPOLBP2RY2P2RY4P2RY6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010088927-A1 USE OF PEI FOR THE IMPROVEMENT OF ENDOSOMAL RELEASE AND EXPRESSION OF TRANSFECTED NUCLEIC ACIDS, COMPLEXED WITH CATIONIC OR POLYCATIONIC COMPOUNDS CUREVAC GMBH (DE) 2010-08-12 WO disclosed